2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide

C15H17FN2OS2 — CID 16899798

IUPAC2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide
SMILESCCCNC(=O)Cc1csc(SCc2ccc(F)cc2)n1
InChIInChI=1S/C15H17FN2OS2/c1-2-7-17-14(19)8-13-10-21-15(18-13)20-9-11-3-5-12(16)6-4-11/h3-6,10H,2,7-9H2,1H3,(H,17,19)
InChIKeyIRIRQXLWCZRHLY-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.64
Rot. Bonds7

About 2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide

2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide (PubChem CID 16899798) has the molecular formula C15H17FN2OS2 and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide
PubChem CID16899798
Molecular FormulaC15H17FN2OS2
Molecular Weight324.45 g/mol
Exact Mass324.08
IUPAC Name2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide
SMILESCCCNC(=O)Cc1csc(SCc2ccc(F)cc2)n1
InChIInChI=1S/C15H17FN2OS2/c1-2-7-17-14(19)8-13-10-21-15(18-13)20-9-11-3-5-12(16)6-4-11/h3-6,10H,2,7-9H2,1H3,(H,17,19)
InChIKeyIRIRQXLWCZRHLY-UHFFFAOYSA-N
XLogP3.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
CID 16899799
2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide
CID 16899931
2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide
CID 16900058
2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methylpropyl)acetamide
CID 16899801
2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide
CID 16900519
2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide
CID 16899938
2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide
CID 16900065
2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16899812
2-[[2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 16899915
N-[2-(4-methoxyphenyl)ethyl]-2-[2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
CID 16900302
2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(3,3,5-trimethylcyclohexyl)acetamide
CID 16899810
2-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide
CID 16899127

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide?
The IUPAC name of 2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide (CID 16899798) is 2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide.
What is the SMILES notation for 2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide?
The canonical SMILES for 2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide is CCCNC(=O)Cc1csc(SCc2ccc(F)cc2)n1.
What is the InChIKey of 2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide?
The InChIKey is IRIRQXLWCZRHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2OS2/c1-2-7-17-14(19)8-13-10-21-15(18-13)20-9-11-3-5-12(16)6-4-11/h3-6,10H,2,7-9H2,1H3,(H,17,19).
What are the key properties of 2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide?
2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide has a molecular weight of 324.45 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide is sourced from PubChem (CID 16899798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).